SCHEMBL3628936

SCHEMBL3628936

CC(C)(C)C(=O)CCC=O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.32
AKR1B1 P15121 1/20 0.32
HIF1A Q16665 1/20 0.32
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP24A1 Q07973 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10575032 0.83 TSHR (0.41) ALDH1A1TSHRHIF1AKMT2A
SCHEMBL8977592 0.81 TSHR (0.44) TSHRHIF1AKMT2A
SCHEMBL9422149 0.80 HPGD (0.33) HPGDALDH1A1
SCHEMBL23529588 0.79 KMT2A (0.31) KMT2ACYP24A1
SCHEMBL8037898 0.77 MAPT (0.38) ALDH1A1TSHRKMT2A
SCHEMBL755487 0.76 KMT2A (0.39) ALDH1A1TSHRHIF1AKMT2ACYP24A1
SCHEMBL25579733 0.75 ADRA2A (0.39) ALDH1A1
SCHEMBL7470469 0.75 HPGD (0.34) HPGDALDH1A1KMT2A
SCHEMBL903352 0.75
SCHEMBL2140595 0.74 FAAH (0.44) ALDH1A1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7695863-B2 rechargeable batteries having excellent battery cycle properties, electrical capacity and storage characteristic during charging, comprising electrodes and a nonaqueous electrolytic solution containing a dicarbonyl compound as an additive UBE INDUSTRIES, LTD. (JP) 2010-04-13 US disclosed
US-20080102377-A1 rechargeable batteries having excellent battery cycle properties, electrical capacity and storage characteristic during charging, comprising electrodes and a nonaqueous electrolytic solution containing a dicarbonyl compound as an additive UBE INDUSTRIES, LTD (JP) 2008-05-01 US disclosed
US-5329033-A Metallocene catalyst, indene containing ligands, alumoxane cocatalyst HOECHST AKTIENGESELLSCHAFT (DE) 1994-07-12 US disclosed
EP-0339483-A2 Renin inhbiting amino-acid derivatives MERCK PATENT GmbH (DE) 1989-11-02 EP disclosed